1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C21H21N5O2S — CID 66760662

About 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760662) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 66760662
• Molecular Formula: C21H21N5O2S
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.14
• IUPAC Name: 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1
• InChI: InChI=1S/C21H21N5O2S/c1-13(27)25-5-2-16(3-6-25)26-11-15(9-24-26)18-10-23-21(22)20-17(18)8-19(28-20)14-4-7-29-12-14/h4,7-12,16H,2-3,5-6H2,1H3,(H2,22,23)
• InChIKey: MBDDGSKUZPVINA-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 90.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760662) is 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1.

What is the InChIKey of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?

The InChIKey is MBDDGSKUZPVINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-13(27)25-5-2-16(3-6-25)26-11-15(9-24-26)18-10-23-21(22)20-17(18)8-19(28-20)14-4-7-29-12-14/h4,7-12,16H,2-3,5-6H2,1H3,(H2,22,23).

What are the key properties of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?

1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 407.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).